3-(thiophen-2-ylmethoxy)butan-1-amine

C9H15NOS — CID 114995869

IUPAC3-(thiophen-2-ylmethoxy)butan-1-amine
SMILESCC(CCN)OCc1cccs1
InChIInChI=1S/C9H15NOS/c1-8(4-5-10)11-7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyOKDNFUBEZQWCFO-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.00
Rot. Bonds5

About 3-(thiophen-2-ylmethoxy)butan-1-amine

3-(thiophen-2-ylmethoxy)butan-1-amine (PubChem CID 114995869) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethoxy)butan-1-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethoxy)butan-1-amine
PubChem CID114995869
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-(thiophen-2-ylmethoxy)butan-1-amine
SMILESCC(CCN)OCc1cccs1
InChIInChI=1S/C9H15NOS/c1-8(4-5-10)11-7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyOKDNFUBEZQWCFO-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
CID 115000398
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 103228609
3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
CID 81195723
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
CID 63568785
2-(methoxymethyl)thiophene
CID 10240820
N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62584051
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
2-(4-bromophenyl)-2-(thiophen-2-ylmethoxy)ethanamine
CID 55016040

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethoxy)butan-1-amine?
The IUPAC name of 3-(thiophen-2-ylmethoxy)butan-1-amine (CID 114995869) is 3-(thiophen-2-ylmethoxy)butan-1-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethoxy)butan-1-amine?
The canonical SMILES for 3-(thiophen-2-ylmethoxy)butan-1-amine is CC(CCN)OCc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethoxy)butan-1-amine?
The InChIKey is OKDNFUBEZQWCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(4-5-10)11-7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3.
What are the key properties of 3-(thiophen-2-ylmethoxy)butan-1-amine?
3-(thiophen-2-ylmethoxy)butan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethoxy)butan-1-amine is sourced from PubChem (CID 114995869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).